Identifikatoren & physikalische Daten
| CAS No. | 453-16-7 |
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| Summenformel | C3H7FO2 |
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| Durchschnittliche Molmasse | 94,08 g/mol |
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| Monoisotopische Masse | 94,04300762 g/mol |
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| SMILES | OCC(O)CF |
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| InChIKey | PQDNJBQKAXAXBQ-UHFFFAOYSA-N |
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| PubChem CID | 1657 |
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| ChEMBL | CHEMBL3276496 |
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| EC No. | 630-612-9 |
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| DTXSID | DTXSID10941218 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
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| Polarare Oberfläche (TPSA) | 40,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 6 |
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| Formalladung | 0 |
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| Komplexität | 32 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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